# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ti2W # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.093643319e+02 1.16 3.774304625e+02 1.18 3.481075508e+02 1.20 3.211540213e+02 1.22 2.963524181e+02 1.24 2.735086563e+02 1.26 2.524510572e+02 1.28 2.330288369e+02 1.30 2.151085827e+02 1.32 1.985696838e+02 1.34 1.833009046e+02 1.36 1.691987861e+02 1.38 1.561671144e+02 1.40 1.441167622e+02 1.42 1.329658065e+02 1.44 1.226399489e+02 1.46 1.130726718e+02 1.48 1.042045454e+02 1.50 9.598200811e+01 1.52 8.835634757e+01 1.54 8.128321331e+01 1.56 7.472249453e+01 1.58 6.863811330e+01 1.60 6.299746639e+01 1.62 5.777067066e+01 1.64 5.292985823e+01 1.66 4.844858256e+01 1.68 4.430139234e+01 1.70 4.046372251e+01 1.72 3.691212532e+01 1.74 3.362474009e+01 1.76 3.058191554e+01 1.78 2.776508668e+01 1.80 2.515732442e+01 1.82 2.274258210e+01 1.84 2.050619602e+01 1.86 1.843497143e+01 1.88 1.651713361e+01 1.90 1.474215501e+01 1.92 1.310050437e+01 1.94 1.158339861e+01 1.96 1.018262272e+01 1.98 8.890425759e+00 2.00 7.699446386e+00 2.02 6.602625237e+00 2.04 5.593112402e+00 2.06 4.664214412e+00 2.08 3.809413967e+00 2.10 3.022454544e+00 2.12 2.297448635e+00 2.14 1.628969915e+00 2.16 1.012111317e+00 2.18 4.425050795e-01 2.20 -8.369508081e-02 2.22 -5.698671624e-01 2.24 -1.018994891e+00 2.26 -1.433741019e+00 2.28 -1.816502568e+00 2.30 -2.169443273e+00 2.32 -2.494514143e+00 2.34 -2.793470558e+00 2.36 -3.067829980e+00 2.38 -3.318996093e+00 2.40 -3.548404599e+00 2.42 -3.757388143e+00 2.44 -3.947207722e+00 2.46 -4.119075726e+00 2.48 -4.274167580e+00 2.50 -4.413624010e+00 2.52 -4.538538402e+00 2.54 -4.649789149e+00 2.56 -4.748074252e+00 2.58 -4.834085536e+00 2.60 -4.908501634e+00 2.62 -4.971980607e+00 2.64 -5.025199115e+00 2.66 -5.068879594e+00 2.68 -5.103489255e+00 2.70 -5.129487272e+00 2.72 -5.147345532e+00 2.74 -5.157541418e+00 2.76 -5.160550596e+00 2.78 -5.156840285e+00 2.80 -5.146855270e+00 2.82 -5.130847127e+00 2.84 -5.108921386e+00 2.86 -5.081220776e+00 2.88 -5.047922974e+00 2.90 -5.009232216e+00 2.92 -4.965371846e+00 2.94 -4.916577848e+00 2.96 -4.863093980e+00 2.98 -4.805168931e+00 3.00 -4.743054903e+00 3.02 -4.677005694e+00 3.04 -4.607271979e+00 3.06 -4.534093430e+00 3.08 -4.457687630e+00 3.10 -4.378241071e+00 3.12 -4.295903975e+00 3.14 -4.210791799e+00 3.16 -4.122991474e+00 3.18 -4.032571890e+00 3.20 -3.939594846e+00 3.22 -3.844125296e+00 3.24 -3.746240134e+00 3.26 -3.646035685e+00 3.28 -3.543634419e+00 3.30 -3.439191358e+00 3.32 -3.332900377e+00 3.34 -3.225000199e+00 3.36 -3.115779543e+00 3.38 -3.005580650e+00 3.40 -2.894800308e+00 3.42 -2.783887837e+00 3.44 -2.673338936e+00 3.46 -2.563686033e+00 3.48 -2.455484658e+00 3.50 -2.349296607e+00 3.52 -2.245670581e+00 3.54 -2.145121368e+00 3.56 -2.048108938e+00 3.58 -1.955019267e+00 3.60 -1.866148960e+00 3.62 -1.781695649e+00 3.64 -1.701755527e+00 3.66 -1.626328216e+00 3.68 -1.555327994e+00 3.70 -1.488599381e+00 3.72 -1.425934760e+00 3.74 -1.367091835e+00 3.76 -1.311809319e+00 3.78 -1.259819940e+00 3.80 -1.210860441e+00 3.82 -1.164678701e+00 3.84 -1.121038360e+00 3.86 -1.079721418e+00 3.88 -1.040529295e+00 3.90 -1.003282786e+00 3.92 -9.678212000e-01 3.94 -9.340014013e-01 3.96 -9.016958493e-01 3.98 -8.707913383e-01 4.00 -8.411873344e-01 4.02 -8.127944796e-01 4.04 -7.855332116e-01 4.06 -7.593325185e-01 4.08 -7.341288309e-01 4.10 -7.098649355e-01 4.12 -6.864895949e-01 4.14 -6.639560674e-01 4.16 -6.422219906e-01 4.18 -6.212486915e-01 4.20 -6.010007102e-01 4.22 -5.814453906e-01 4.24 -5.625525256e-01 4.26 -5.442940518e-01 4.28 -5.266437845e-01 4.30 -5.095771880e-01 4.32 -4.930711756e-01 4.34 -4.771039350e-01 4.36 -4.616547744e-01 4.38 -4.467039882e-01 4.40 -4.322327364e-01 4.42 -4.182229380e-01 4.44 -4.046571750e-01 4.46 -3.915186062e-01 4.48 -3.787908885e-01 4.50 -3.664581059e-01 4.52 -3.545047045e-01 4.54 -3.429154345e-01 4.56 -3.316752982e-01 4.58 -3.207695048e-01 4.60 -3.101834342e-01 4.62 -2.999026100e-01 4.64 -2.899126856e-01 4.66 -2.801994452e-01 4.68 -2.707488245e-01 4.70 -2.615469558e-01 4.72 -2.525802414e-01 4.74 -2.438354630e-01 4.76 -2.352999293e-01 4.78 -2.269616681e-01 4.80 -2.188095526e-01 4.82 -2.108340432e-01 4.84 -2.030267774e-01 4.86 -1.953814097e-01 4.88 -1.878938069e-01 4.90 -1.805623374e-01 4.92 -1.733880813e-01 4.94 -1.663749136e-01 4.96 -1.595294182e-01 4.98 -1.528605989e-01 5.00 -1.463793756e-01 5.02 -1.400978776e-01 5.04 -1.340285800e-01 5.06 -1.281833572e-01 5.08 -1.225723890e-01 5.10 -1.172032723e-01 5.12 -1.120812557e-01 5.14 -1.072081664e-01 5.16 -1.025822504e-01 5.18 -9.819832799e-02 5.20 -9.404816169e-02 5.22 -9.012096957e-02 5.24 -8.640401370e-02 5.26 -8.288319965e-02 5.28 -7.954363650e-02 5.30 -7.637012399e-02 5.32 -7.334754982e-02 5.34 -7.046119328e-02 5.36 -6.769694201e-02 5.38 -6.504143408e-02 5.40 -6.248214123e-02 5.42 -6.000740910e-02 5.44 -5.760646989e-02 5.46 -5.526944070e-02 5.48 -5.298731861e-02 5.50 -5.075198131e-02 5.52 -4.855619962e-02 5.54 -4.639366575e-02 5.56 -4.425903894e-02 5.58 -4.214800757e-02 5.60 -4.005736410e-02 5.62 -3.798508664e-02 5.64 -3.593041815e-02 5.66 -3.389393197e-02 5.68 -3.187757031e-02 5.70 -2.988464206e-02 5.72 -2.791976682e-02 5.74 -2.598875489e-02 5.76 -2.409841810e-02 5.78 -2.225631281e-02 5.80 -2.047042378e-02 5.82 -1.874880692e-02 5.84 -1.709921438e-02 5.86 -1.552872929e-02 5.88 -1.404343873e-02 5.90 -1.264816966e-02 5.92 -1.134624331e-02 5.94 -1.013936147e-02 5.96 -9.027943976e-03 5.98 -8.010937586e-03 6.00 -7.085948756e-03